SCHEMBL12246136

SCHEMBL12246136

Fc1cc2nc(Cl)n3ncnc3c2cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MBOAT4 Q96T53 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
LRRK2 Q5S007 2/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12225122 0.81 HRH4 (0.36) KDM4EALDH1A1HRH4HRH3LRRK2
SCHEMBL12225101 0.81 HRH4 (0.33) HRH4HRH3LRRK2CHEK1AURKA
SCHEMBL12224901 0.78 HRH4 (0.51) KDM4EALDH1A1HRH4HRH3
SCHEMBL463624 0.77 PDE10A (0.38) HRH4AR
SCHEMBL12246557 0.77 MBOAT4 (0.40) KDM4EALDH1A1HPGDMBOAT4LRRK2
SCHEMBL12224904 0.76 SOS1 (0.42) KDM4EALDH1A1HRH4HRH3
SCHEMBL2468104 0.76 HRH4 (0.53) HRH4HRH3
SCHEMBL12224798 0.73 HRH4 (0.51) KDM4EALDH1A1HRH4HRH3
SCHEMBL2463455 0.73 MBOAT4 (0.34) KDM4EALDH1A1HPGDMBOAT4
SCHEMBL462817 0.72 PDE10A (0.38) HRH4AR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KDM4E 1897/4885ALDH1A1 1909/4885HPGD 252/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.